SCHEMBL6767786

SCHEMBL6767786

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCC(OS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
BCHE P06276 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.41
F13A1 P00488 2/20 0.40
TGM2 P21980 2/20 0.40
TGM1 P22735 2/20 0.40
ATM Q13315 1/20 0.40
CCR5 P51681 2/20 0.40
LMNA P02545 2/20 0.40
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5723815 0.87 ALDH1A1 (0.45) KDM4EBCHETDP1SMN1; SMN2NPC1
SCHEMBL5723831 0.87 ALDH1A1 (0.45) KDM4EBCHETDP1SMN1; SMN2NPC1
SCHEMBL24065123 0.86 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AF13A1TGM2
SCHEMBL30714037 0.86 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AF13A1TGM2
SCHEMBL24064971 0.84 SMN1; SMN2 (0.48) KDM4EBCHETDP1SMN1; SMN2NPC1
SCHEMBL9854974 0.82 ALDH1A1 (0.47) KDM4EBCHESMN1; SMN2NPC1ALDH1A1
SCHEMBL5723897 0.80 KDM4E (0.48) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5724304 0.80 ALDH1A1 (0.47) KDM4EBCHETDP1SMN1; SMN2NPC1
SCHEMBL5723979 0.79 ALDH1A1 (0.47) KDM4ETDP1SMN1; SMN2RAB9AALDH1A1
SCHEMBL5723978 0.78 ALDH1A1 (0.47) TDP1SMN1; SMN2NPC1RAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 KDM4E 531/4885BCHE 3675/4885TDP1 1723/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.